N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide

C17H18N2O3S — CID 18438757

IUPACN,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)CC(=O)N3C)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-4-7-15(8-5-12)23(21,22)19(3)14-6-9-16-13(10-14)11-17(20)18(16)2/h4-10H,11H2,1-3H3
InChIKeyGPKRTMUZMFFUPE-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.34
Rot. Bonds3

About N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide

N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide (PubChem CID 18438757) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
PubChem CID18438757
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)CC(=O)N3C)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-4-7-15(8-5-12)23(21,22)19(3)14-6-9-16-13(10-14)11-17(20)18(16)2/h4-10H,11H2,1-3H3
InChIKeyGPKRTMUZMFFUPE-UHFFFAOYSA-N
XLogP2.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
2-[methyl-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]amino]benzamide
CID 24602631
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide
CID 110724844
2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 115161891
5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one
CID 71697522
6-methyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110634928
3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanenitrile
CID 116855309
N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide
CID 125470934
N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
CID 110871146
3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570723

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide (CID 18438757) is N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)CC(=O)N3C)cc1.
What is the InChIKey of N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide?
The InChIKey is GPKRTMUZMFFUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-4-7-15(8-5-12)23(21,22)19(3)14-6-9-16-13(10-14)11-17(20)18(16)2/h4-10H,11H2,1-3H3.
What are the key properties of N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide?
N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 18438757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).